| SpectraBase Compound ID | EnenEtZPW2E |
|---|---|
| InChI | InChI=1S/C19H25Cl3O4/c1-2-3-4-5-8-11-25-17(23)9-6-7-10-18(24)26-16-13-14(20)12-15(21)19(16)22/h12-13H,2-11H2,1H3 |
| InChIKey | SYHRLYOAAGGUSU-UHFFFAOYSA-N |
| Mol Weight | 423.76 g/mol |
| Molecular Formula | C19H25Cl3O4 |
| Exact Mass | 422.081842 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BmxiO39aguP |
|---|---|
| Name | Adipic acid, heptyl 2,3,5-trichlorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 422.081842381 u |
| Formula | C19H25Cl3O4 |
| InChI | InChI=1S/C19H25Cl3O4/c1-2-3-4-5-8-11-25-17(23)9-6-7-10-18(24)26-16-13-14(20)12-15(21)19(16)22/h12-13H,2-11H2,1H3 |
| InChIKey | SYHRLYOAAGGUSU-UHFFFAOYSA-N |
| Molecular Weight | 423.764 g/mol |
| SMILES | C(CCCC(OC1=CC(=CC(=C1Cl)Cl)Cl)=O)C(OCCCCCCC)=O |